Structure of the [5S,15S] isomer of the macrocyclic complex, [La(NCS)(3)(C24H30N6)]

The crystal and molecular structure of the [5S,15S] isomer of the [LaL(NCS)(3)] complex (L = C26H30N6) was determined by single crystal X-ray diffraction analysis. The compound crystallizes in the orthorhombic space group P2(1)2(1)2(1) With a = 13.647(4), b = 19.504(4), 11.606(4)Angstrom. The 9-coordinate La(III) is bound to the N atoms of three monodentate isothiocyanates and to the six N atoms of the macrocycle ligand L, which has an 18-membered, six-nitrogen donor cavity and two peripheral -CH3 substituents.